SCHEMBL20468974

SCHEMBL20468974

Cc1ncc(C)c(N2CCC3(CCNC3)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ CYP2D6 P10635 7/20 0.45
▸ HSD17B10 Q99714 7/20 0.45
▸ CYP3A4 P08684 6/20 0.45
▸ CYP1A2 P05177 5/20 0.45
▸ TSHR P16473 4/20 0.45
▸ HPGD P15428 4/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ CDC42BPB Q9Y5S2 2/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ USP2 O75604 4/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ MAPK1 P28482 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ KHK P50053 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PIM3 Q86V86 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20468861 0.81 ALDH1A1 (0.50) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20468947 0.80 ALDH1A1 (0.46) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20468863 0.79 OGA (0.45) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20469191 0.77 CYP3A4 (0.48) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20468946 0.76 OGA (0.45) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20469180 0.75 CYP11B1 (0.47) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20468965 0.75 ALDH1A1 (0.43) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20468975 0.74 CYP3A4 (0.43) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL30328553 0.74 PIM1 (0.36) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL20468866 0.74 ALDH1A1 (0.46) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 — — US disclosed
WO-2018141984-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885CYP2D6 4092/4885HSD17B10 2463/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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